2,4-difluoro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline

C20H15F2N3S — CID 6623236

IUPAC2,4-difluoro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline
SMILESFc1ccc(NCc2cn(-c3ccccc3)nc2-c2cccs2)c(F)c1
InChIInChI=1S/C20H15F2N3S/c21-15-8-9-18(17(22)11-15)23-12-14-13-25(16-5-2-1-3-6-16)24-20(14)19-7-4-10-26-19/h1-11,13,23H,12H2
InChIKeyGJDFFHYVHMOXJP-UHFFFAOYSA-N
MW367.42 g/mol
LogP5.49
Rot. Bonds5

About 2,4-difluoro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline

2,4-difluoro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline (PubChem CID 6623236) has the molecular formula C20H15F2N3S and a molecular weight of 367.42 g/mol. Its IUPAC name is 2,4-difluoro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline
PubChem CID6623236
Molecular FormulaC20H15F2N3S
Molecular Weight367.42 g/mol
Exact Mass367.10
IUPAC Name2,4-difluoro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline
SMILESFc1ccc(NCc2cn(-c3ccccc3)nc2-c2cccs2)c(F)c1
InChIInChI=1S/C20H15F2N3S/c21-15-8-9-18(17(22)11-15)23-12-14-13-25(16-5-2-1-3-6-16)24-20(14)19-7-4-10-26-19/h1-11,13,23H,12H2
InChIKeyGJDFFHYVHMOXJP-UHFFFAOYSA-N
XLogP5.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea
CID 6904022
4-{[(1,3-diphenyl-1H-pyrazol-4-yl)methylene]amino}-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 9583952
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine
CID 16190435
CID 2998304
CID 2998304
4-[(2E)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]benzenesulfonamide
CID 9670310
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(methylthio)ethanamine
CID 16188988
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(methoxymethyl)piperidine
CID 16190127
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16190616
nitric acid;2-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]guanidine
CID 16239028
5-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 16191379
2-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]ethanamine
CID 4792479
(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 6286694

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 2,4-difluoro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline (CID 6623236) is 2,4-difluoro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2,4-difluoro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2,4-difluoro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline is Fc1ccc(NCc2cn(-c3ccccc3)nc2-c2cccs2)c(F)c1.
What is the InChIKey of 2,4-difluoro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline?
The InChIKey is GJDFFHYVHMOXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3S/c21-15-8-9-18(17(22)11-15)23-12-14-13-25(16-5-2-1-3-6-16)24-20(14)19-7-4-10-26-19/h1-11,13,23H,12H2.
What are the key properties of 2,4-difluoro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline?
2,4-difluoro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline has a molecular weight of 367.42 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 6623236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).